USER MOD reduce.3.24.130724 H: found=0, std=0, add=387, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 388 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 52 THR OG1 : rot 180:sc= 0 USER MOD Set 1.2: A 56 LYS NZ :NH3+ -157:sc= -0.0245 (180deg=-0.389) USER MOD Single : A 9 ASN :FLIP amide:sc= -1.72 F(o=-5.9!,f=-1.7) USER MOD Single : A 10 TYR OH : rot 180:sc= 0 USER MOD Single : A 11 TYR OH : rot 180:sc= 0 USER MOD Single : A 15 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 16 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 17 SER OG : rot 180:sc= 0 USER MOD Single : A 19 CYS SG : rot 180:sc= 0 USER MOD Single : A 21 TYR OH : rot 180:sc= 0 USER MOD Single : A 22 THR OG1 : rot 180:sc= 0 USER MOD Single : A 25 LYS NZ :NH3+ 147:sc= -0.25 (180deg=-1.33!) USER MOD Single : A 26 SER OG : rot 180:sc= -0.829 USER MOD Single : A 27 SER OG : rot 180:sc= 0 USER MOD Single : A 35 TYR OH : rot 180:sc= 0 USER MOD Single : A 36 MET CE :methyl 161:sc= 0 (180deg=-0.00157) USER MOD Single : A 43 THR OG1 : rot 82:sc= -0.0386 USER MOD Single : A 44 THR OG1 : rot 180:sc= 0 USER MOD Single : A 46 ASN :FLIP amide:sc= -3.62! C(o=-9.1!,f=-3.6!) USER MOD ----------------------------------------------------------------- ATOM 57 N GLY A 5 73.341 37.745 -15.570 1.00 1.00 N ATOM 58 CA GLY A 5 73.649 36.521 -16.300 1.00 1.00 C ATOM 59 C GLY A 5 74.606 36.801 -17.453 1.00 1.00 C ATOM 60 O GLY A 5 74.181 37.008 -18.590 1.00 1.00 O ATOM 0 HA2 GLY A 5 74.093 35.791 -15.623 1.00 1.00 H new ATOM 0 HA3 GLY A 5 72.729 36.081 -16.685 1.00 1.00 H new ATOM 64 N ASP A 6 75.901 36.807 -17.154 1.00 1.00 N ATOM 65 CA ASP A 6 76.911 37.063 -18.174 1.00 1.00 C ATOM 66 C ASP A 6 76.797 36.048 -19.307 1.00 1.00 C ATOM 67 O ASP A 6 76.855 36.408 -20.483 1.00 1.00 O ATOM 68 CB ASP A 6 78.308 36.987 -17.557 1.00 1.00 C ATOM 69 CG ASP A 6 79.333 36.627 -18.627 1.00 1.00 C ATOM 70 OD1 ASP A 6 79.283 37.222 -19.692 1.00 1.00 O ATOM 71 OD2 ASP A 6 80.150 35.760 -18.367 1.00 1.00 O ATOM 0 H ASP A 6 76.274 36.639 -16.220 1.00 1.00 H new ATOM 0 HA ASP A 6 76.747 38.062 -18.578 1.00 1.00 H new ATOM 0 HB2 ASP A 6 78.566 37.943 -17.102 1.00 1.00 H new ATOM 0 HB3 ASP A 6 78.323 36.241 -16.762 1.00 1.00 H new ATOM 76 N PHE A 7 76.636 34.780 -18.945 1.00 1.00 N ATOM 77 CA PHE A 7 76.515 33.721 -19.939 1.00 1.00 C ATOM 78 C PHE A 7 75.471 32.696 -19.508 1.00 1.00 C ATOM 79 O PHE A 7 75.698 31.489 -19.599 1.00 1.00 O ATOM 80 CB PHE A 7 77.865 33.028 -20.132 1.00 1.00 C ATOM 81 CG PHE A 7 78.219 32.261 -18.881 1.00 1.00 C ATOM 82 CD1 PHE A 7 78.622 32.948 -17.729 1.00 1.00 C ATOM 83 CD2 PHE A 7 78.147 30.863 -18.872 1.00 1.00 C ATOM 84 CE1 PHE A 7 78.951 32.237 -16.569 1.00 1.00 C ATOM 85 CE2 PHE A 7 78.476 30.152 -17.712 1.00 1.00 C ATOM 86 CZ PHE A 7 78.878 30.839 -16.561 1.00 1.00 C ATOM 0 H PHE A 7 76.587 34.462 -17.977 1.00 1.00 H new ATOM 0 HA PHE A 7 76.199 34.169 -20.881 1.00 1.00 H new ATOM 0 HB2 PHE A 7 77.820 32.352 -20.986 1.00 1.00 H new ATOM 0 HB3 PHE A 7 78.637 33.766 -20.350 1.00 1.00 H new ATOM 0 HD1 PHE A 7 78.679 34.026 -17.736 1.00 1.00 H new ATOM 0 HD2 PHE A 7 77.837 30.333 -19.761 1.00 1.00 H new ATOM 0 HE1 PHE A 7 79.261 32.767 -15.680 1.00 1.00 H new ATOM 0 HE2 PHE A 7 78.420 29.073 -17.705 1.00 1.00 H new ATOM 0 HZ PHE A 7 79.132 30.290 -15.666 1.00 1.00 H new ATOM 96 N ASP A 8 74.329 33.184 -19.037 1.00 1.00 N ATOM 97 CA ASP A 8 73.257 32.300 -18.593 1.00 1.00 C ATOM 98 C ASP A 8 72.889 31.310 -19.693 1.00 1.00 C ATOM 99 O ASP A 8 72.359 31.693 -20.735 1.00 1.00 O ATOM 100 CB ASP A 8 72.025 33.123 -18.212 1.00 1.00 C ATOM 101 CG ASP A 8 71.092 32.291 -17.338 1.00 1.00 C ATOM 102 OD1 ASP A 8 71.480 31.979 -16.224 1.00 1.00 O ATOM 103 OD2 ASP A 8 70.006 31.979 -17.795 1.00 1.00 O ATOM 0 H ASP A 8 74.122 34.179 -18.953 1.00 1.00 H new ATOM 0 HA ASP A 8 73.607 31.745 -17.722 1.00 1.00 H new ATOM 0 HB2 ASP A 8 72.330 34.023 -17.679 1.00 1.00 H new ATOM 0 HB3 ASP A 8 71.501 33.447 -19.111 1.00 1.00 H new ATOM 108 N ASN A 9 73.175 30.034 -19.453 1.00 1.00 N ATOM 109 CA ASN A 9 72.870 28.997 -20.431 1.00 1.00 C ATOM 110 C ASN A 9 71.506 28.376 -20.146 1.00 1.00 C ATOM 111 O ASN A 9 71.218 27.261 -20.580 1.00 1.00 O ATOM 112 CB ASN A 9 73.945 27.909 -20.393 1.00 1.00 C ATOM 113 CG ASN A 9 73.544 26.813 -19.411 1.00 1.00 C ATOM 114 OD1 ASN A 9 73.058 27.141 -18.245 1.00 1.00 O flip ATOM 115 ND2 ASN A 9 73.676 25.627 -19.714 1.00 1.00 N flip ATOM 0 H ASN A 9 73.614 29.696 -18.597 1.00 1.00 H new ATOM 0 HA ASN A 9 72.850 29.453 -21.421 1.00 1.00 H new ATOM 0 HB2 ASN A 9 74.080 27.485 -21.388 1.00 1.00 H new ATOM 0 HB3 ASN A 9 74.901 28.341 -20.098 1.00 1.00 H new ATOM 0 HD21 ASN A 9 74.056 25.373 -20.626 1.00 1.00 H new ATOM 0 HD22 ASN A 9 73.405 24.899 -19.053 1.00 1.00 H new ATOM 122 N TYR A 10 70.671 29.107 -19.414 1.00 1.00 N ATOM 123 CA TYR A 10 69.337 28.622 -19.075 1.00 1.00 C ATOM 124 C TYR A 10 69.421 27.483 -18.063 1.00 1.00 C ATOM 125 O TYR A 10 68.615 27.405 -17.135 1.00 1.00 O ATOM 126 CB TYR A 10 68.618 28.135 -20.336 1.00 1.00 C ATOM 127 CG TYR A 10 69.049 28.971 -21.518 1.00 1.00 C ATOM 128 CD1 TYR A 10 69.030 30.369 -21.428 1.00 1.00 C ATOM 129 CD2 TYR A 10 69.464 28.352 -22.701 1.00 1.00 C ATOM 130 CE1 TYR A 10 69.429 31.146 -22.522 1.00 1.00 C ATOM 131 CE2 TYR A 10 69.863 29.128 -23.796 1.00 1.00 C ATOM 132 CZ TYR A 10 69.845 30.525 -23.707 1.00 1.00 C ATOM 133 OH TYR A 10 70.237 31.291 -24.786 1.00 1.00 O ATOM 0 H TYR A 10 70.892 30.032 -19.046 1.00 1.00 H new ATOM 0 HA TYR A 10 68.775 29.445 -18.633 1.00 1.00 H new ATOM 0 HB2 TYR A 10 68.849 27.085 -20.516 1.00 1.00 H new ATOM 0 HB3 TYR A 10 67.539 28.205 -20.202 1.00 1.00 H new ATOM 0 HD1 TYR A 10 68.708 30.847 -20.515 1.00 1.00 H new ATOM 0 HD2 TYR A 10 69.477 27.274 -22.770 1.00 1.00 H new ATOM 0 HE1 TYR A 10 69.416 32.224 -22.453 1.00 1.00 H new ATOM 0 HE2 TYR A 10 70.185 28.649 -24.709 1.00 1.00 H new ATOM 0 HH TYR A 10 70.496 30.704 -25.527 1.00 1.00 H new ATOM 143 N TYR A 11 70.400 26.604 -18.246 1.00 1.00 N ATOM 144 CA TYR A 11 70.577 25.474 -17.342 1.00 1.00 C ATOM 145 C TYR A 11 69.520 24.406 -17.604 1.00 1.00 C ATOM 146 O TYR A 11 68.892 24.388 -18.662 1.00 1.00 O ATOM 147 CB TYR A 11 70.479 25.946 -15.890 1.00 1.00 C ATOM 148 CG TYR A 11 71.462 25.175 -15.041 1.00 1.00 C ATOM 149 CD1 TYR A 11 72.834 25.429 -15.156 1.00 1.00 C ATOM 150 CD2 TYR A 11 71.001 24.207 -14.141 1.00 1.00 C ATOM 151 CE1 TYR A 11 73.746 24.714 -14.369 1.00 1.00 C ATOM 152 CE2 TYR A 11 71.913 23.493 -13.354 1.00 1.00 C ATOM 153 CZ TYR A 11 73.285 23.746 -13.469 1.00 1.00 C ATOM 154 OH TYR A 11 74.184 23.042 -12.694 1.00 1.00 O ATOM 0 H TYR A 11 71.078 26.651 -19.006 1.00 1.00 H new ATOM 0 HA TYR A 11 71.563 25.044 -17.518 1.00 1.00 H new ATOM 0 HB2 TYR A 11 70.689 27.014 -15.829 1.00 1.00 H new ATOM 0 HB3 TYR A 11 69.466 25.798 -15.516 1.00 1.00 H new ATOM 0 HD1 TYR A 11 73.189 26.176 -15.851 1.00 1.00 H new ATOM 0 HD2 TYR A 11 69.943 24.011 -14.054 1.00 1.00 H new ATOM 0 HE1 TYR A 11 74.805 24.910 -14.457 1.00 1.00 H new ATOM 0 HE2 TYR A 11 71.558 22.747 -12.658 1.00 1.00 H new ATOM 0 HH TYR A 11 73.699 22.410 -12.123 1.00 1.00 H new ATOM 164 N GLY A 12 69.328 23.519 -16.634 1.00 1.00 N ATOM 165 CA GLY A 12 68.344 22.451 -16.770 1.00 1.00 C ATOM 166 C GLY A 12 67.066 22.970 -17.419 1.00 1.00 C ATOM 167 O GLY A 12 66.369 22.232 -18.116 1.00 1.00 O ATOM 0 H GLY A 12 69.837 23.518 -15.750 1.00 1.00 H new ATOM 0 HA2 GLY A 12 68.760 21.642 -17.371 1.00 1.00 H new ATOM 0 HA3 GLY A 12 68.115 22.034 -15.789 1.00 1.00 H new ATOM 171 N ALA A 13 66.764 24.243 -17.185 1.00 1.00 N ATOM 172 CA ALA A 13 65.566 24.850 -17.753 1.00 1.00 C ATOM 173 C ALA A 13 64.330 24.026 -17.404 1.00 1.00 C ATOM 174 O ALA A 13 63.635 24.315 -16.430 1.00 1.00 O ATOM 175 CB ALA A 13 65.701 24.951 -19.273 1.00 1.00 C ATOM 0 H ALA A 13 67.327 24.870 -16.611 1.00 1.00 H new ATOM 0 HA ALA A 13 65.454 25.849 -17.331 1.00 1.00 H new ATOM 0 HB1 ALA A 13 64.802 25.405 -19.689 1.00 1.00 H new ATOM 0 HB2 ALA A 13 66.566 25.566 -19.521 1.00 1.00 H new ATOM 0 HB3 ALA A 13 65.831 23.954 -19.694 1.00 1.00 H new ATOM 181 N ASP A 14 64.063 23.001 -18.205 1.00 1.00 N ATOM 182 CA ASP A 14 62.908 22.142 -17.971 1.00 1.00 C ATOM 183 C ASP A 14 62.979 21.515 -16.582 1.00 1.00 C ATOM 184 O ASP A 14 62.011 21.555 -15.823 1.00 1.00 O ATOM 185 CB ASP A 14 62.856 21.037 -19.028 1.00 1.00 C ATOM 186 CG ASP A 14 63.384 21.564 -20.359 1.00 1.00 C ATOM 187 OD1 ASP A 14 62.781 22.479 -20.893 1.00 1.00 O ATOM 188 OD2 ASP A 14 64.385 21.043 -20.824 1.00 1.00 O ATOM 0 H ASP A 14 64.626 22.746 -19.016 1.00 1.00 H new ATOM 0 HA ASP A 14 62.007 22.752 -18.037 1.00 1.00 H new ATOM 0 HB2 ASP A 14 63.451 20.183 -18.703 1.00 1.00 H new ATOM 0 HB3 ASP A 14 61.832 20.684 -19.148 1.00 1.00 H new ATOM 193 N ASN A 15 64.132 20.938 -16.257 1.00 1.00 N ATOM 194 CA ASN A 15 64.318 20.307 -14.956 1.00 1.00 C ATOM 195 C ASN A 15 63.846 21.232 -13.839 1.00 1.00 C ATOM 196 O ASN A 15 63.274 20.782 -12.846 1.00 1.00 O ATOM 197 CB ASN A 15 65.794 19.963 -14.748 1.00 1.00 C ATOM 198 CG ASN A 15 66.005 18.461 -14.897 1.00 1.00 C ATOM 199 OD1 ASN A 15 65.939 17.931 -16.006 1.00 1.00 O ATOM 200 ND2 ASN A 15 66.258 17.738 -13.840 1.00 1.00 N ATOM 0 H ASN A 15 64.945 20.895 -16.871 1.00 1.00 H new ATOM 0 HA ASN A 15 63.725 19.393 -14.929 1.00 1.00 H new ATOM 0 HB2 ASN A 15 66.406 20.498 -15.474 1.00 1.00 H new ATOM 0 HB3 ASN A 15 66.116 20.287 -13.758 1.00 1.00 H new ATOM 0 HD21 ASN A 15 66.401 16.732 -13.932 1.00 1.00 H new ATOM 0 HD22 ASN A 15 66.312 18.179 -12.922 1.00 1.00 H new ATOM 207 N GLN A 16 64.089 22.527 -14.008 1.00 1.00 N ATOM 208 CA GLN A 16 63.685 23.508 -13.007 1.00 1.00 C ATOM 209 C GLN A 16 62.398 24.208 -13.432 1.00 1.00 C ATOM 210 O GLN A 16 62.260 25.421 -13.276 1.00 1.00 O ATOM 211 CB GLN A 16 64.793 24.545 -12.814 1.00 1.00 C ATOM 212 CG GLN A 16 66.142 23.834 -12.693 1.00 1.00 C ATOM 213 CD GLN A 16 67.161 24.760 -12.036 1.00 1.00 C ATOM 214 OE1 GLN A 16 67.562 25.763 -12.628 1.00 1.00 O ATOM 215 NE2 GLN A 16 67.607 24.481 -10.842 1.00 1.00 N ATOM 0 H GLN A 16 64.560 22.920 -14.823 1.00 1.00 H new ATOM 0 HA GLN A 16 63.508 22.987 -12.066 1.00 1.00 H new ATOM 0 HB2 GLN A 16 64.809 25.237 -13.656 1.00 1.00 H new ATOM 0 HB3 GLN A 16 64.600 25.137 -11.919 1.00 1.00 H new ATOM 0 HG2 GLN A 16 66.031 22.924 -12.103 1.00 1.00 H new ATOM 0 HG3 GLN A 16 66.494 23.533 -13.680 1.00 1.00 H new ATOM 0 HE21 GLN A 16 67.273 23.650 -10.354 1.00 1.00 H new ATOM 0 HE22 GLN A 16 68.290 25.094 -10.396 1.00 1.00 H new ATOM 224 N SER A 17 61.460 23.436 -13.970 1.00 1.00 N ATOM 225 CA SER A 17 60.188 23.992 -14.415 1.00 1.00 C ATOM 226 C SER A 17 59.050 23.013 -14.143 1.00 1.00 C ATOM 227 O SER A 17 59.203 22.068 -13.368 1.00 1.00 O ATOM 228 CB SER A 17 60.249 24.304 -15.910 1.00 1.00 C ATOM 229 OG SER A 17 59.648 25.570 -16.150 1.00 1.00 O ATOM 0 H SER A 17 61.555 22.430 -14.108 1.00 1.00 H new ATOM 0 HA SER A 17 60.001 24.911 -13.860 1.00 1.00 H new ATOM 0 HB2 SER A 17 61.285 24.310 -16.250 1.00 1.00 H new ATOM 0 HB3 SER A 17 59.732 23.530 -16.476 1.00 1.00 H new ATOM 0 HG SER A 17 59.687 25.774 -17.108 1.00 1.00 H new ATOM 235 N GLU A 18 57.911 23.246 -14.785 1.00 1.00 N ATOM 236 CA GLU A 18 56.752 22.377 -14.604 1.00 1.00 C ATOM 237 C GLU A 18 57.139 20.917 -14.817 1.00 1.00 C ATOM 238 O GLU A 18 57.025 20.390 -15.924 1.00 1.00 O ATOM 239 CB GLU A 18 55.650 22.764 -15.592 1.00 1.00 C ATOM 240 CG GLU A 18 56.251 22.936 -16.988 1.00 1.00 C ATOM 241 CD GLU A 18 55.397 22.205 -18.018 1.00 1.00 C ATOM 242 OE1 GLU A 18 54.192 22.394 -17.999 1.00 1.00 O ATOM 243 OE2 GLU A 18 55.960 21.466 -18.809 1.00 1.00 O ATOM 0 H GLU A 18 57.765 24.022 -15.430 1.00 1.00 H new ATOM 0 HA GLU A 18 56.385 22.499 -13.585 1.00 1.00 H new ATOM 0 HB2 GLU A 18 54.877 21.996 -15.610 1.00 1.00 H new ATOM 0 HB3 GLU A 18 55.171 23.690 -15.274 1.00 1.00 H new ATOM 0 HG2 GLU A 18 56.311 23.995 -17.239 1.00 1.00 H new ATOM 0 HG3 GLU A 18 57.269 22.546 -17.005 1.00 1.00 H new ATOM 250 N CYS A 19 57.599 20.271 -13.751 1.00 1.00 N ATOM 251 CA CYS A 19 58.000 18.871 -13.832 1.00 1.00 C ATOM 252 C CYS A 19 57.672 18.143 -12.533 1.00 1.00 C ATOM 253 O CYS A 19 58.399 18.256 -11.546 1.00 1.00 O ATOM 254 CB CYS A 19 59.501 18.774 -14.109 1.00 1.00 C ATOM 255 SG CYS A 19 59.772 17.892 -15.666 1.00 1.00 S ATOM 0 H CYS A 19 57.703 20.690 -12.827 1.00 1.00 H new ATOM 0 HA CYS A 19 57.449 18.401 -14.647 1.00 1.00 H new ATOM 0 HB2 CYS A 19 59.937 19.772 -14.163 1.00 1.00 H new ATOM 0 HB3 CYS A 19 59.999 18.253 -13.292 1.00 1.00 H new ATOM 0 HG CYS A 19 61.048 17.811 -15.903 1.00 1.00 H new ATOM 261 N GLU A 20 56.572 17.396 -12.541 1.00 1.00 N ATOM 262 CA GLU A 20 56.157 16.654 -11.357 1.00 1.00 C ATOM 263 C GLU A 20 55.839 17.607 -10.208 1.00 1.00 C ATOM 264 O GLU A 20 55.460 17.176 -9.119 1.00 1.00 O ATOM 265 CB GLU A 20 57.266 15.689 -10.929 1.00 1.00 C ATOM 266 CG GLU A 20 57.883 15.038 -12.168 1.00 1.00 C ATOM 267 CD GLU A 20 58.560 13.726 -11.785 1.00 1.00 C ATOM 268 OE1 GLU A 20 59.682 13.779 -11.308 1.00 1.00 O ATOM 269 OE2 GLU A 20 57.947 12.689 -11.973 1.00 1.00 O ATOM 0 H GLU A 20 55.957 17.289 -13.348 1.00 1.00 H new ATOM 0 HA GLU A 20 55.258 16.089 -11.604 1.00 1.00 H new ATOM 0 HB2 GLU A 20 58.031 16.224 -10.367 1.00 1.00 H new ATOM 0 HB3 GLU A 20 56.861 14.924 -10.267 1.00 1.00 H new ATOM 0 HG2 GLU A 20 57.111 14.854 -12.915 1.00 1.00 H new ATOM 0 HG3 GLU A 20 58.609 15.713 -12.620 1.00 1.00 H new ATOM 276 N TYR A 21 55.998 18.903 -10.462 1.00 1.00 N ATOM 277 CA TYR A 21 55.725 19.914 -9.445 1.00 1.00 C ATOM 278 C TYR A 21 54.448 20.679 -9.779 1.00 1.00 C ATOM 279 O TYR A 21 54.278 21.828 -9.371 1.00 1.00 O ATOM 280 CB TYR A 21 56.898 20.892 -9.355 1.00 1.00 C ATOM 281 CG TYR A 21 58.188 20.161 -9.642 1.00 1.00 C ATOM 282 CD1 TYR A 21 58.472 18.959 -8.982 1.00 1.00 C ATOM 283 CD2 TYR A 21 59.099 20.684 -10.567 1.00 1.00 C ATOM 284 CE1 TYR A 21 59.668 18.280 -9.248 1.00 1.00 C ATOM 285 CE2 TYR A 21 60.295 20.006 -10.832 1.00 1.00 C ATOM 286 CZ TYR A 21 60.579 18.804 -10.172 1.00 1.00 C ATOM 287 OH TYR A 21 61.758 18.136 -10.434 1.00 1.00 O ATOM 0 H TYR A 21 56.313 19.276 -11.358 1.00 1.00 H new ATOM 0 HA TYR A 21 55.594 19.412 -8.486 1.00 1.00 H new ATOM 0 HB2 TYR A 21 56.762 21.705 -10.068 1.00 1.00 H new ATOM 0 HB3 TYR A 21 56.935 21.341 -8.362 1.00 1.00 H new ATOM 0 HD1 TYR A 21 57.769 18.556 -8.268 1.00 1.00 H new ATOM 0 HD2 TYR A 21 58.879 21.611 -11.076 1.00 1.00 H new ATOM 0 HE1 TYR A 21 59.887 17.352 -8.740 1.00 1.00 H new ATOM 0 HE2 TYR A 21 60.998 20.410 -11.545 1.00 1.00 H new ATOM 0 HH TYR A 21 62.276 18.635 -11.100 1.00 1.00 H new ATOM 297 N THR A 22 53.554 20.034 -10.521 1.00 1.00 N ATOM 298 CA THR A 22 52.295 20.665 -10.903 1.00 1.00 C ATOM 299 C THR A 22 51.393 19.669 -11.623 1.00 1.00 C ATOM 300 O THR A 22 50.200 19.576 -11.333 1.00 1.00 O ATOM 301 CB THR A 22 52.567 21.863 -11.816 1.00 1.00 C ATOM 302 OG1 THR A 22 51.467 22.043 -12.696 1.00 1.00 O ATOM 303 CG2 THR A 22 53.838 21.611 -12.629 1.00 1.00 C ATOM 0 H THR A 22 53.676 19.082 -10.868 1.00 1.00 H new ATOM 0 HA THR A 22 51.792 21.005 -9.998 1.00 1.00 H new ATOM 0 HB THR A 22 52.700 22.759 -11.210 1.00 1.00 H new ATOM 0 HG1 THR A 22 51.638 22.811 -13.281 1.00 1.00 H new ATOM 0 HG21 THR A 22 54.030 22.465 -13.278 1.00 1.00 H new ATOM 0 HG22 THR A 22 54.681 21.473 -11.952 1.00 1.00 H new ATOM 0 HG23 THR A 22 53.710 20.715 -13.236 1.00 1.00 H new ATOM 311 N ASP A 23 51.970 18.928 -12.563 1.00 1.00 N ATOM 312 CA ASP A 23 51.207 17.942 -13.319 1.00 1.00 C ATOM 313 C ASP A 23 50.877 16.733 -12.448 1.00 1.00 C ATOM 314 O ASP A 23 51.158 15.593 -12.818 1.00 1.00 O ATOM 315 CB ASP A 23 52.008 17.488 -14.541 1.00 1.00 C ATOM 316 CG ASP A 23 51.960 18.560 -15.624 1.00 1.00 C ATOM 317 OD1 ASP A 23 50.899 18.747 -16.197 1.00 1.00 O ATOM 318 OD2 ASP A 23 52.984 19.178 -15.864 1.00 1.00 O ATOM 0 H ASP A 23 52.956 18.990 -12.818 1.00 1.00 H new ATOM 0 HA ASP A 23 50.275 18.405 -13.645 1.00 1.00 H new ATOM 0 HB2 ASP A 23 53.042 17.293 -14.256 1.00 1.00 H new ATOM 0 HB3 ASP A 23 51.601 16.553 -14.925 1.00 1.00 H new ATOM 323 N TRP A 24 50.281 16.991 -11.288 1.00 1.00 N ATOM 324 CA TRP A 24 49.917 15.917 -10.372 1.00 1.00 C ATOM 325 C TRP A 24 49.084 16.459 -9.213 1.00 1.00 C ATOM 326 O TRP A 24 48.212 15.768 -8.688 1.00 1.00 O ATOM 327 CB TRP A 24 51.179 15.248 -9.824 1.00 1.00 C ATOM 328 CG TRP A 24 51.805 16.131 -8.794 1.00 1.00 C ATOM 329 CD1 TRP A 24 52.801 17.015 -9.031 1.00 1.00 C ATOM 330 CD2 TRP A 24 51.498 16.231 -7.373 1.00 1.00 C ATOM 331 NE1 TRP A 24 53.125 17.652 -7.847 1.00 1.00 N ATOM 332 CE2 TRP A 24 52.349 17.203 -6.796 1.00 1.00 C ATOM 333 CE3 TRP A 24 50.572 15.580 -6.538 1.00 1.00 C ATOM 334 CZ2 TRP A 24 52.284 17.518 -5.438 1.00 1.00 C ATOM 335 CZ3 TRP A 24 50.505 15.894 -5.171 1.00 1.00 C ATOM 336 CH2 TRP A 24 51.360 16.861 -4.623 1.00 1.00 C ATOM 0 H TRP A 24 50.041 17.927 -10.962 1.00 1.00 H new ATOM 0 HA TRP A 24 49.325 15.184 -10.920 1.00 1.00 H new ATOM 0 HB2 TRP A 24 50.930 14.281 -9.386 1.00 1.00 H new ATOM 0 HB3 TRP A 24 51.884 15.059 -10.634 1.00 1.00 H new ATOM 0 HD1 TRP A 24 53.267 17.194 -9.989 1.00 1.00 H new ATOM 0 HE1 TRP A 24 53.848 18.366 -7.760 1.00 1.00 H new ATOM 0 HE3 TRP A 24 49.909 14.834 -6.951 1.00 1.00 H new ATOM 0 HZ2 TRP A 24 52.944 18.264 -5.021 1.00 1.00 H new ATOM 0 HZ3 TRP A 24 49.791 15.388 -4.538 1.00 1.00 H new ATOM 0 HH2 TRP A 24 51.304 17.098 -3.571 1.00 1.00 H new ATOM 347 N LYS A 25 49.361 17.698 -8.822 1.00 1.00 N ATOM 348 CA LYS A 25 48.631 18.323 -7.724 1.00 1.00 C ATOM 349 C LYS A 25 47.144 17.997 -7.814 1.00 1.00 C ATOM 350 O LYS A 25 46.409 18.613 -8.586 1.00 1.00 O ATOM 351 CB LYS A 25 48.828 19.841 -7.764 1.00 1.00 C ATOM 352 CG LYS A 25 48.757 20.403 -6.342 1.00 1.00 C ATOM 353 CD LYS A 25 50.139 20.320 -5.691 1.00 1.00 C ATOM 354 CE LYS A 25 50.922 21.600 -5.992 1.00 1.00 C ATOM 355 NZ LYS A 25 50.201 22.771 -5.418 1.00 1.00 N ATOM 0 H LYS A 25 50.080 18.286 -9.245 1.00 1.00 H new ATOM 0 HA LYS A 25 49.019 17.931 -6.784 1.00 1.00 H new ATOM 0 HB2 LYS A 25 49.791 20.082 -8.214 1.00 1.00 H new ATOM 0 HB3 LYS A 25 48.061 20.302 -8.387 1.00 1.00 H new ATOM 0 HG2 LYS A 25 48.416 21.438 -6.365 1.00 1.00 H new ATOM 0 HG3 LYS A 25 48.032 19.841 -5.753 1.00 1.00 H new ATOM 0 HD2 LYS A 25 50.038 20.187 -4.614 1.00 1.00 H new ATOM 0 HD3 LYS A 25 50.680 19.453 -6.070 1.00 1.00 H new ATOM 0 HE2 LYS A 25 51.924 21.534 -5.569 1.00 1.00 H new ATOM 0 HE3 LYS A 25 51.038 21.723 -7.069 1.00 1.00 H new ATOM 0 HZ1 LYS A 25 50.890 23.487 -5.111 1.00 1.00 H new ATOM 0 HZ2 LYS A 25 49.574 23.181 -6.140 1.00 1.00 H new ATOM 0 HZ3 LYS A 25 49.634 22.464 -4.602 1.00 1.00 H new ATOM 369 N SER A 26 46.708 17.025 -7.020 1.00 1.00 N ATOM 370 CA SER A 26 45.306 16.624 -7.019 1.00 1.00 C ATOM 371 C SER A 26 44.979 15.817 -8.270 1.00 1.00 C ATOM 372 O SER A 26 44.785 16.376 -9.349 1.00 1.00 O ATOM 373 CB SER A 26 44.409 17.862 -6.958 1.00 1.00 C ATOM 374 OG SER A 26 45.108 18.916 -6.309 1.00 1.00 O ATOM 0 H SER A 26 47.300 16.504 -6.373 1.00 1.00 H new ATOM 0 HA SER A 26 45.126 16.002 -6.142 1.00 1.00 H new ATOM 0 HB2 SER A 26 44.121 18.167 -7.964 1.00 1.00 H new ATOM 0 HB3 SER A 26 43.490 17.633 -6.419 1.00 1.00 H new ATOM 0 HG SER A 26 44.537 19.712 -6.270 1.00 1.00 H new ATOM 380 N SER A 27 44.919 14.497 -8.118 1.00 1.00 N ATOM 381 CA SER A 27 44.615 13.622 -9.244 1.00 1.00 C ATOM 382 C SER A 27 43.134 13.701 -9.599 1.00 1.00 C ATOM 383 O SER A 27 42.768 14.187 -10.670 1.00 1.00 O ATOM 384 CB SER A 27 44.981 12.178 -8.896 1.00 1.00 C ATOM 385 OG SER A 27 45.789 11.637 -9.932 1.00 1.00 O ATOM 0 H SER A 27 45.076 14.014 -7.234 1.00 1.00 H new ATOM 0 HA SER A 27 45.201 13.949 -10.103 1.00 1.00 H new ATOM 0 HB2 SER A 27 45.516 12.145 -7.947 1.00 1.00 H new ATOM 0 HB3 SER A 27 44.077 11.581 -8.774 1.00 1.00 H new ATOM 0 HG SER A 27 46.027 10.712 -9.712 1.00 1.00 H new ATOM 391 N GLY A 28 42.287 13.219 -8.696 1.00 1.00 N ATOM 392 CA GLY A 28 40.847 13.242 -8.926 1.00 1.00 C ATOM 393 C GLY A 28 40.288 14.648 -8.743 1.00 1.00 C ATOM 394 O GLY A 28 39.297 15.018 -9.373 1.00 1.00 O ATOM 0 H GLY A 28 42.569 12.811 -7.805 1.00 1.00 H new ATOM 0 HA2 GLY A 28 40.630 12.889 -9.934 1.00 1.00 H new ATOM 0 HA3 GLY A 28 40.354 12.558 -8.236 1.00 1.00 H new ATOM 398 N ALA A 29 40.929 15.426 -7.877 1.00 1.00 N ATOM 399 CA ALA A 29 40.488 16.792 -7.617 1.00 1.00 C ATOM 400 C ALA A 29 39.297 16.801 -6.664 1.00 1.00 C ATOM 401 O ALA A 29 38.318 17.516 -6.883 1.00 1.00 O ATOM 402 CB ALA A 29 40.102 17.476 -8.931 1.00 1.00 C ATOM 0 H ALA A 29 41.751 15.137 -7.346 1.00 1.00 H new ATOM 0 HA ALA A 29 41.311 17.337 -7.153 1.00 1.00 H new ATOM 0 HB1 ALA A 29 39.774 18.495 -8.728 1.00 1.00 H new ATOM 0 HB2 ALA A 29 40.965 17.498 -9.597 1.00 1.00 H new ATOM 0 HB3 ALA A 29 39.292 16.922 -9.405 1.00 1.00 H new ATOM 408 N LEU A 30 39.389 16.006 -5.603 1.00 1.00 N ATOM 409 CA LEU A 30 38.313 15.934 -4.621 1.00 1.00 C ATOM 410 C LEU A 30 38.838 15.423 -3.282 1.00 1.00 C ATOM 411 O LEU A 30 38.068 14.976 -2.432 1.00 1.00 O ATOM 412 CB LEU A 30 37.187 15.022 -5.131 1.00 1.00 C ATOM 413 CG LEU A 30 37.593 13.546 -5.022 1.00 1.00 C ATOM 414 CD1 LEU A 30 36.555 12.683 -5.742 1.00 1.00 C ATOM 415 CD2 LEU A 30 38.961 13.331 -5.672 1.00 1.00 C ATOM 0 H LEU A 30 40.190 15.407 -5.402 1.00 1.00 H new ATOM 0 HA LEU A 30 37.915 16.938 -4.475 1.00 1.00 H new ATOM 0 HB2 LEU A 30 36.280 15.198 -4.553 1.00 1.00 H new ATOM 0 HB3 LEU A 30 36.957 15.265 -6.168 1.00 1.00 H new ATOM 0 HG LEU A 30 37.646 13.266 -3.970 1.00 1.00 H new ATOM 0 HD11 LEU A 30 36.839 11.633 -5.667 1.00 1.00 H new ATOM 0 HD12 LEU A 30 35.578 12.828 -5.281 1.00 1.00 H new ATOM 0 HD13 LEU A 30 36.507 12.972 -6.792 1.00 1.00 H new ATOM 0 HD21 LEU A 30 39.242 12.281 -5.590 1.00 1.00 H new ATOM 0 HD22 LEU A 30 38.912 13.613 -6.724 1.00 1.00 H new ATOM 0 HD23 LEU A 30 39.705 13.946 -5.166 1.00 1.00 H new ATOM 427 N ILE A 31 40.153 15.495 -3.101 1.00 1.00 N ATOM 428 CA ILE A 31 40.767 15.039 -1.859 1.00 1.00 C ATOM 429 C ILE A 31 40.457 15.995 -0.705 1.00 1.00 C ATOM 430 O ILE A 31 40.225 15.555 0.421 1.00 1.00 O ATOM 431 CB ILE A 31 42.285 14.912 -2.027 1.00 1.00 C ATOM 432 CG1 ILE A 31 42.626 14.730 -3.509 1.00 1.00 C ATOM 433 CG2 ILE A 31 42.784 13.701 -1.239 1.00 1.00 C ATOM 434 CD1 ILE A 31 44.019 14.111 -3.641 1.00 1.00 C ATOM 0 H ILE A 31 40.809 15.861 -3.791 1.00 1.00 H new ATOM 0 HA ILE A 31 40.347 14.061 -1.622 1.00 1.00 H new ATOM 0 HB ILE A 31 42.767 15.816 -1.653 1.00 1.00 H new ATOM 0 HG12 ILE A 31 41.885 14.089 -3.987 1.00 1.00 H new ATOM 0 HG13 ILE A 31 42.594 15.692 -4.021 1.00 1.00 H new ATOM 0 HG21 ILE A 31 43.864 13.609 -1.358 1.00 1.00 H new ATOM 0 HG22 ILE A 31 42.545 13.830 -0.183 1.00 1.00 H new ATOM 0 HG23 ILE A 31 42.300 12.799 -1.613 1.00 1.00 H new ATOM 0 HD11 ILE A 31 44.261 13.982 -4.696 1.00 1.00 H new ATOM 0 HD12 ILE A 31 44.755 14.768 -3.178 1.00 1.00 H new ATOM 0 HD13 ILE A 31 44.035 13.141 -3.144 1.00 1.00 H new ATOM 446 N PRO A 32 40.449 17.284 -0.952 1.00 1.00 N ATOM 447 CA PRO A 32 40.162 18.295 0.096 1.00 1.00 C ATOM 448 C PRO A 32 38.666 18.561 0.242 1.00 1.00 C ATOM 449 O PRO A 32 38.259 19.547 0.855 1.00 1.00 O ATOM 450 CB PRO A 32 40.898 19.537 -0.405 1.00 1.00 C ATOM 451 CG PRO A 32 40.981 19.397 -1.895 1.00 1.00 C ATOM 452 CD PRO A 32 40.708 17.928 -2.248 1.00 1.00 C ATOM 0 HA PRO A 32 40.484 17.972 1.086 1.00 1.00 H new ATOM 0 HB2 PRO A 32 40.363 20.445 -0.128 1.00 1.00 H new ATOM 0 HB3 PRO A 32 41.892 19.605 0.036 1.00 1.00 H new ATOM 0 HG2 PRO A 32 40.253 20.047 -2.380 1.00 1.00 H new ATOM 0 HG3 PRO A 32 41.966 19.698 -2.252 1.00 1.00 H new ATOM 0 HD2 PRO A 32 39.853 17.832 -2.917 1.00 1.00 H new ATOM 0 HD3 PRO A 32 41.561 17.475 -2.753 1.00 1.00 H new ATOM 460 N ALA A 33 37.857 17.671 -0.329 1.00 1.00 N ATOM 461 CA ALA A 33 36.405 17.807 -0.262 1.00 1.00 C ATOM 462 C ALA A 33 35.796 16.649 0.519 1.00 1.00 C ATOM 463 O ALA A 33 34.769 16.805 1.180 1.00 1.00 O ATOM 464 CB ALA A 33 35.820 17.835 -1.675 1.00 1.00 C ATOM 0 H ALA A 33 38.182 16.851 -0.841 1.00 1.00 H new ATOM 0 HA ALA A 33 36.168 18.740 0.249 1.00 1.00 H new ATOM 0 HB1 ALA A 33 34.736 17.937 -1.618 1.00 1.00 H new ATOM 0 HB2 ALA A 33 36.235 18.680 -2.224 1.00 1.00 H new ATOM 0 HB3 ALA A 33 36.071 16.908 -2.191 1.00 1.00 H new ATOM 470 N ILE A 34 36.437 15.486 0.438 1.00 1.00 N ATOM 471 CA ILE A 34 35.953 14.303 1.141 1.00 1.00 C ATOM 472 C ILE A 34 36.840 13.995 2.343 1.00 1.00 C ATOM 473 O ILE A 34 36.354 13.581 3.395 1.00 1.00 O ATOM 474 CB ILE A 34 35.940 13.102 0.194 1.00 1.00 C ATOM 475 CG1 ILE A 34 35.019 13.399 -0.993 1.00 1.00 C ATOM 476 CG2 ILE A 34 35.426 11.869 0.939 1.00 1.00 C ATOM 477 CD1 ILE A 34 35.161 12.295 -2.041 1.00 1.00 C ATOM 0 H ILE A 34 37.288 15.338 -0.104 1.00 1.00 H new ATOM 0 HA ILE A 34 34.940 14.500 1.491 1.00 1.00 H new ATOM 0 HB ILE A 34 36.951 12.914 -0.167 1.00 1.00 H new ATOM 0 HG12 ILE A 34 33.984 13.464 -0.656 1.00 1.00 H new ATOM 0 HG13 ILE A 34 35.273 14.365 -1.431 1.00 1.00 H new ATOM 0 HG21 ILE A 34 35.417 11.013 0.264 1.00 1.00 H new ATOM 0 HG22 ILE A 34 36.079 11.657 1.785 1.00 1.00 H new ATOM 0 HG23 ILE A 34 34.415 12.057 1.300 1.00 1.00 H new ATOM 0 HD11 ILE A 34 34.505 12.508 -2.885 1.00 1.00 H new ATOM 0 HD12 ILE A 34 36.194 12.252 -2.386 1.00 1.00 H new ATOM 0 HD13 ILE A 34 34.886 11.337 -1.600 1.00 1.00 H new ATOM 489 N TYR A 35 38.143 14.200 2.180 1.00 1.00 N ATOM 490 CA TYR A 35 39.088 13.941 3.260 1.00 1.00 C ATOM 491 C TYR A 35 39.024 15.050 4.305 1.00 1.00 C ATOM 492 O TYR A 35 39.280 14.818 5.487 1.00 1.00 O ATOM 493 CB TYR A 35 40.509 13.846 2.700 1.00 1.00 C ATOM 494 CG TYR A 35 41.377 13.070 3.661 1.00 1.00 C ATOM 495 CD1 TYR A 35 41.394 11.671 3.615 1.00 1.00 C ATOM 496 CD2 TYR A 35 42.164 13.749 4.599 1.00 1.00 C ATOM 497 CE1 TYR A 35 42.198 10.951 4.507 1.00 1.00 C ATOM 498 CE2 TYR A 35 42.968 13.030 5.490 1.00 1.00 C ATOM 499 CZ TYR A 35 42.985 11.630 5.444 1.00 1.00 C ATOM 500 OH TYR A 35 43.778 10.921 6.323 1.00 1.00 O ATOM 0 H TYR A 35 38.566 14.542 1.317 1.00 1.00 H new ATOM 0 HA TYR A 35 38.820 12.996 3.733 1.00 1.00 H new ATOM 0 HB2 TYR A 35 40.496 13.355 1.727 1.00 1.00 H new ATOM 0 HB3 TYR A 35 40.919 14.844 2.548 1.00 1.00 H new ATOM 0 HD1 TYR A 35 40.787 11.147 2.892 1.00 1.00 H new ATOM 0 HD2 TYR A 35 42.150 14.828 4.635 1.00 1.00 H new ATOM 0 HE1 TYR A 35 42.211 9.872 4.472 1.00 1.00 H new ATOM 0 HE2 TYR A 35 43.575 13.554 6.213 1.00 1.00 H new ATOM 0 HH TYR A 35 44.260 11.545 6.905 1.00 1.00 H new ATOM 510 N MET A 36 38.681 16.255 3.862 1.00 1.00 N ATOM 511 CA MET A 36 38.587 17.393 4.769 1.00 1.00 C ATOM 512 C MET A 36 37.214 17.437 5.434 1.00 1.00 C ATOM 513 O MET A 36 37.108 17.610 6.648 1.00 1.00 O ATOM 514 CB MET A 36 38.824 18.695 4.000 1.00 1.00 C ATOM 515 CG MET A 36 40.328 18.929 3.842 1.00 1.00 C ATOM 516 SD MET A 36 40.920 19.978 5.193 1.00 1.00 S ATOM 517 CE MET A 36 40.477 21.569 4.455 1.00 1.00 C ATOM 0 H MET A 36 38.465 16.468 2.888 1.00 1.00 H new ATOM 0 HA MET A 36 39.349 17.282 5.540 1.00 1.00 H new ATOM 0 HB2 MET A 36 38.349 18.643 3.021 1.00 1.00 H new ATOM 0 HB3 MET A 36 38.369 19.531 4.531 1.00 1.00 H new ATOM 0 HG2 MET A 36 40.858 17.976 3.848 1.00 1.00 H new ATOM 0 HG3 MET A 36 40.534 19.403 2.882 1.00 1.00 H new ATOM 0 HE1 MET A 36 40.437 22.332 5.232 1.00 1.00 H new ATOM 0 HE2 MET A 36 41.225 21.846 3.712 1.00 1.00 H new ATOM 0 HE3 MET A 36 39.502 21.489 3.975 1.00 1.00 H new ATOM 527 N LEU A 37 36.168 17.279 4.631 1.00 1.00 N ATOM 528 CA LEU A 37 34.807 17.303 5.153 1.00 1.00 C ATOM 529 C LEU A 37 34.488 16.000 5.879 1.00 1.00 C ATOM 530 O LEU A 37 33.334 15.575 5.934 1.00 1.00 O ATOM 531 CB LEU A 37 33.812 17.510 4.009 1.00 1.00 C ATOM 532 CG LEU A 37 34.247 18.706 3.160 1.00 1.00 C ATOM 533 CD1 LEU A 37 33.241 18.924 2.029 1.00 1.00 C ATOM 534 CD2 LEU A 37 34.305 19.959 4.036 1.00 1.00 C ATOM 0 H LEU A 37 36.235 17.134 3.624 1.00 1.00 H new ATOM 0 HA LEU A 37 34.724 18.129 5.860 1.00 1.00 H new ATOM 0 HB2 LEU A 37 33.760 16.613 3.392 1.00 1.00 H new ATOM 0 HB3 LEU A 37 32.812 17.680 4.409 1.00 1.00 H new ATOM 0 HG LEU A 37 35.232 18.510 2.737 1.00 1.00 H new ATOM 0 HD11 LEU A 37 33.552 19.776 1.425 1.00 1.00 H new ATOM 0 HD12 LEU A 37 33.198 18.032 1.404 1.00 1.00 H new ATOM 0 HD13 LEU A 37 32.255 19.119 2.451 1.00 1.00 H new ATOM 0 HD21 LEU A 37 34.615 20.811 3.432 1.00 1.00 H new ATOM 0 HD22 LEU A 37 33.319 20.153 4.459 1.00 1.00 H new ATOM 0 HD23 LEU A 37 35.022 19.806 4.843 1.00 1.00 H new ATOM 546 N VAL A 38 35.517 15.371 6.435 1.00 1.00 N ATOM 547 CA VAL A 38 35.335 14.117 7.157 1.00 1.00 C ATOM 548 C VAL A 38 36.263 14.056 8.366 1.00 1.00 C ATOM 549 O VAL A 38 36.144 13.166 9.208 1.00 1.00 O ATOM 550 CB VAL A 38 35.622 12.934 6.232 1.00 1.00 C ATOM 551 CG1 VAL A 38 35.750 11.654 7.060 1.00 1.00 C ATOM 552 CG2 VAL A 38 34.474 12.779 5.232 1.00 1.00 C ATOM 0 H VAL A 38 36.480 15.706 6.400 1.00 1.00 H new ATOM 0 HA VAL A 38 34.302 14.065 7.502 1.00 1.00 H new ATOM 0 HB VAL A 38 36.553 13.113 5.695 1.00 1.00 H new ATOM 0 HG11 VAL A 38 35.955 10.812 6.399 1.00 1.00 H new ATOM 0 HG12 VAL A 38 36.567 11.762 7.773 1.00 1.00 H new ATOM 0 HG13 VAL A 38 34.820 11.475 7.599 1.00 1.00 H new ATOM 0 HG21 VAL A 38 34.678 11.936 4.572 1.00 1.00 H new ATOM 0 HG22 VAL A 38 33.543 12.601 5.771 1.00 1.00 H new ATOM 0 HG23 VAL A 38 34.382 13.689 4.640 1.00 1.00 H new ATOM 562 N PHE A 39 37.186 15.008 8.446 1.00 1.00 N ATOM 563 CA PHE A 39 38.129 15.053 9.558 1.00 1.00 C ATOM 564 C PHE A 39 37.572 15.895 10.700 1.00 1.00 C ATOM 565 O PHE A 39 37.797 15.594 11.872 1.00 1.00 O ATOM 566 CB PHE A 39 39.461 15.643 9.089 1.00 1.00 C ATOM 567 CG PHE A 39 40.248 16.122 10.285 1.00 1.00 C ATOM 568 CD1 PHE A 39 40.863 15.196 11.136 1.00 1.00 C ATOM 569 CD2 PHE A 39 40.362 17.493 10.544 1.00 1.00 C ATOM 570 CE1 PHE A 39 41.592 15.640 12.244 1.00 1.00 C ATOM 571 CE2 PHE A 39 41.092 17.938 11.653 1.00 1.00 C ATOM 572 CZ PHE A 39 41.706 17.012 12.504 1.00 1.00 C ATOM 0 H PHE A 39 37.301 15.754 7.760 1.00 1.00 H new ATOM 0 HA PHE A 39 38.288 14.036 9.916 1.00 1.00 H new ATOM 0 HB2 PHE A 39 40.031 14.892 8.542 1.00 1.00 H new ATOM 0 HB3 PHE A 39 39.283 16.471 8.402 1.00 1.00 H new ATOM 0 HD1 PHE A 39 40.774 14.138 10.937 1.00 1.00 H new ATOM 0 HD2 PHE A 39 39.887 18.208 9.888 1.00 1.00 H new ATOM 0 HE1 PHE A 39 42.067 14.925 12.899 1.00 1.00 H new ATOM 0 HE2 PHE A 39 41.181 18.996 11.852 1.00 1.00 H new ATOM 0 HZ PHE A 39 42.267 17.355 13.361 1.00 1.00 H new ATOM 582 N LEU A 40 36.844 16.950 10.351 1.00 1.00 N ATOM 583 CA LEU A 40 36.259 17.830 11.357 1.00 1.00 C ATOM 584 C LEU A 40 34.778 17.518 11.547 1.00 1.00 C ATOM 585 O LEU A 40 34.076 18.216 12.278 1.00 1.00 O ATOM 586 CB LEU A 40 36.428 19.294 10.939 1.00 1.00 C ATOM 587 CG LEU A 40 36.320 19.418 9.417 1.00 1.00 C ATOM 588 CD1 LEU A 40 34.986 18.836 8.947 1.00 1.00 C ATOM 589 CD2 LEU A 40 36.396 20.895 9.022 1.00 1.00 C ATOM 0 H LEU A 40 36.646 17.216 9.386 1.00 1.00 H new ATOM 0 HA LEU A 40 36.777 17.663 12.301 1.00 1.00 H new ATOM 0 HB2 LEU A 40 35.665 19.908 11.417 1.00 1.00 H new ATOM 0 HB3 LEU A 40 37.395 19.668 11.275 1.00 1.00 H new ATOM 0 HG LEU A 40 37.139 18.870 8.950 1.00 1.00 H new ATOM 0 HD11 LEU A 40 34.912 18.926 7.863 1.00 1.00 H new ATOM 0 HD12 LEU A 40 34.928 17.785 9.229 1.00 1.00 H new ATOM 0 HD13 LEU A 40 34.166 19.382 9.413 1.00 1.00 H new ATOM 0 HD21 LEU A 40 36.319 20.986 7.939 1.00 1.00 H new ATOM 0 HD22 LEU A 40 35.577 21.440 9.491 1.00 1.00 H new ATOM 0 HD23 LEU A 40 37.346 21.312 9.355 1.00 1.00 H new ATOM 601 N LEU A 41 34.310 16.467 10.882 1.00 1.00 N ATOM 602 CA LEU A 41 32.909 16.072 10.984 1.00 1.00 C ATOM 603 C LEU A 41 32.777 14.552 10.957 1.00 1.00 C ATOM 604 O LEU A 41 31.687 14.018 10.754 1.00 1.00 O ATOM 605 CB LEU A 41 32.112 16.678 9.826 1.00 1.00 C ATOM 606 CG LEU A 41 31.488 18.004 10.270 1.00 1.00 C ATOM 607 CD1 LEU A 41 31.178 18.858 9.040 1.00 1.00 C ATOM 608 CD2 LEU A 41 30.191 17.727 11.035 1.00 1.00 C ATOM 0 H LEU A 41 34.875 15.877 10.271 1.00 1.00 H new ATOM 0 HA LEU A 41 32.513 16.441 11.930 1.00 1.00 H new ATOM 0 HB2 LEU A 41 32.764 16.841 8.968 1.00 1.00 H new ATOM 0 HB3 LEU A 41 31.332 15.986 9.507 1.00 1.00 H new ATOM 0 HG LEU A 41 32.186 18.535 10.917 1.00 1.00 H new ATOM 0 HD11 LEU A 41 30.734 19.802 9.355 1.00 1.00 H new ATOM 0 HD12 LEU A 41 32.100 19.055 8.493 1.00 1.00 H new ATOM 0 HD13 LEU A 41 30.479 18.326 8.394 1.00 1.00 H new ATOM 0 HD21 LEU A 41 29.746 18.671 11.351 1.00 1.00 H new ATOM 0 HD22 LEU A 41 29.493 17.196 10.388 1.00 1.00 H new ATOM 0 HD23 LEU A 41 30.409 17.117 11.912 1.00 1.00 H new ATOM 620 N GLY A 42 33.895 13.862 11.163 1.00 1.00 N ATOM 621 CA GLY A 42 33.896 12.402 11.160 1.00 1.00 C ATOM 622 C GLY A 42 34.686 11.857 12.345 1.00 1.00 C ATOM 623 O GLY A 42 34.800 10.644 12.520 1.00 1.00 O ATOM 0 H GLY A 42 34.807 14.287 11.333 1.00 1.00 H new ATOM 0 HA2 GLY A 42 32.871 12.033 11.200 1.00 1.00 H new ATOM 0 HA3 GLY A 42 34.330 12.036 10.229 1.00 1.00 H new ATOM 627 N THR A 43 35.228 12.760 13.154 1.00 1.00 N ATOM 628 CA THR A 43 36.006 12.358 14.320 1.00 1.00 C ATOM 629 C THR A 43 35.887 13.403 15.426 1.00 1.00 C ATOM 630 O THR A 43 35.361 13.124 16.503 1.00 1.00 O ATOM 631 CB THR A 43 37.476 12.185 13.935 1.00 1.00 C ATOM 632 OG1 THR A 43 37.617 12.346 12.531 1.00 1.00 O ATOM 633 CG2 THR A 43 37.951 10.789 14.341 1.00 1.00 C ATOM 0 H THR A 43 35.144 13.768 13.026 1.00 1.00 H new ATOM 0 HA THR A 43 35.614 11.409 14.686 1.00 1.00 H new ATOM 0 HB THR A 43 38.078 12.934 14.450 1.00 1.00 H new ATOM 0 HG1 THR A 43 37.654 13.301 12.313 1.00 1.00 H new ATOM 0 HG21 THR A 43 38.999 10.667 14.066 1.00 1.00 H new ATOM 0 HG22 THR A 43 37.842 10.667 15.419 1.00 1.00 H new ATOM 0 HG23 THR A 43 37.351 10.037 13.828 1.00 1.00 H new ATOM 641 N THR A 44 36.378 14.606 15.149 1.00 1.00 N ATOM 642 CA THR A 44 36.321 15.686 16.126 1.00 1.00 C ATOM 643 C THR A 44 34.925 15.783 16.735 1.00 1.00 C ATOM 644 O THR A 44 34.751 16.306 17.834 1.00 1.00 O ATOM 645 CB THR A 44 36.681 17.014 15.456 1.00 1.00 C ATOM 646 OG1 THR A 44 38.091 17.097 15.302 1.00 1.00 O ATOM 647 CG2 THR A 44 36.191 18.176 16.320 1.00 1.00 C ATOM 0 H THR A 44 36.817 14.856 14.263 1.00 1.00 H new ATOM 0 HA THR A 44 37.037 15.473 16.919 1.00 1.00 H new ATOM 0 HB THR A 44 36.204 17.068 14.478 1.00 1.00 H new ATOM 0 HG1 THR A 44 38.324 17.946 14.871 1.00 1.00 H new ATOM 0 HG21 THR A 44 36.449 19.120 15.840 1.00 1.00 H new ATOM 0 HG22 THR A 44 35.109 18.112 16.437 1.00 1.00 H new ATOM 0 HG23 THR A 44 36.665 18.126 17.300 1.00 1.00 H new ATOM 655 N GLY A 45 33.934 15.272 16.011 1.00 1.00 N ATOM 656 CA GLY A 45 32.557 15.304 16.487 1.00 1.00 C ATOM 657 C GLY A 45 32.357 14.330 17.642 1.00 1.00 C ATOM 658 O GLY A 45 32.065 14.738 18.766 1.00 1.00 O ATOM 0 H GLY A 45 34.058 14.834 15.098 1.00 1.00 H new ATOM 0 HA2 GLY A 45 32.303 16.314 16.810 1.00 1.00 H new ATOM 0 HA3 GLY A 45 31.880 15.050 15.671 1.00 1.00 H new ATOM 662 N ASN A 46 32.516 13.042 17.354 1.00 1.00 N ATOM 663 CA ASN A 46 32.351 12.011 18.373 1.00 1.00 C ATOM 664 C ASN A 46 33.701 11.427 18.771 1.00 1.00 C ATOM 665 O ASN A 46 34.634 12.162 19.097 1.00 1.00 O ATOM 666 CB ASN A 46 31.444 10.899 17.842 1.00 1.00 C ATOM 667 CG ASN A 46 32.108 10.192 16.662 1.00 1.00 C ATOM 668 OD1 ASN A 46 33.290 10.573 16.263 1.00 1.00 O flip ATOM 669 ND2 ASN A 46 31.529 9.270 16.089 1.00 1.00 N flip ATOM 0 H ASN A 46 32.758 12.688 16.428 1.00 1.00 H new ATOM 0 HA ASN A 46 31.895 12.464 19.253 1.00 1.00 H new ATOM 0 HB2 ASN A 46 31.236 10.181 18.635 1.00 1.00 H new ATOM 0 HB3 ASN A 46 30.487 11.318 17.532 1.00 1.00 H new ATOM 0 HD21 ASN A 46 30.605 8.974 16.403 1.00 1.00 H new ATOM 0 HD22 ASN A 46 31.973 8.801 15.300 1.00 1.00 H new ATOM 676 N GLY A 47 33.798 10.102 18.741 1.00 1.00 N ATOM 677 CA GLY A 47 35.041 9.429 19.101 1.00 1.00 C ATOM 678 C GLY A 47 35.691 10.092 20.310 1.00 1.00 C ATOM 679 O GLY A 47 36.912 10.240 20.366 1.00 1.00 O ATOM 0 H GLY A 47 33.038 9.477 18.473 1.00 1.00 H new ATOM 0 HA2 GLY A 47 34.840 8.380 19.321 1.00 1.00 H new ATOM 0 HA3 GLY A 47 35.729 9.452 18.256 1.00 1.00 H new ATOM 683 N LEU A 48 34.865 10.490 21.274 1.00 1.00 N ATOM 684 CA LEU A 48 35.367 11.137 22.482 1.00 1.00 C ATOM 685 C LEU A 48 35.280 10.188 23.672 1.00 1.00 C ATOM 686 O LEU A 48 35.821 10.466 24.743 1.00 1.00 O ATOM 687 CB LEU A 48 34.554 12.400 22.773 1.00 1.00 C ATOM 688 CG LEU A 48 35.106 13.564 21.949 1.00 1.00 C ATOM 689 CD1 LEU A 48 33.972 14.531 21.605 1.00 1.00 C ATOM 690 CD2 LEU A 48 36.175 14.300 22.759 1.00 1.00 C ATOM 0 H LEU A 48 33.852 10.377 21.243 1.00 1.00 H new ATOM 0 HA LEU A 48 36.411 11.406 22.322 1.00 1.00 H new ATOM 0 HB2 LEU A 48 33.505 12.234 22.530 1.00 1.00 H new ATOM 0 HB3 LEU A 48 34.601 12.638 23.836 1.00 1.00 H new ATOM 0 HG LEU A 48 35.546 13.180 21.029 1.00 1.00 H new ATOM 0 HD11 LEU A 48 34.367 15.360 21.018 1.00 1.00 H new ATOM 0 HD12 LEU A 48 33.210 14.008 21.028 1.00 1.00 H new ATOM 0 HD13 LEU A 48 33.530 14.915 22.524 1.00 1.00 H new ATOM 0 HD21 LEU A 48 36.569 15.130 22.172 1.00 1.00 H new ATOM 0 HD22 LEU A 48 35.734 14.683 23.679 1.00 1.00 H new ATOM 0 HD23 LEU A 48 36.984 13.612 23.003 1.00 1.00 H new ATOM 702 N VAL A 49 34.595 9.065 23.478 1.00 1.00 N ATOM 703 CA VAL A 49 34.444 8.079 24.541 1.00 1.00 C ATOM 704 C VAL A 49 35.435 6.935 24.355 1.00 1.00 C ATOM 705 O VAL A 49 35.333 5.900 25.013 1.00 1.00 O ATOM 706 CB VAL A 49 33.019 7.526 24.540 1.00 1.00 C ATOM 707 CG1 VAL A 49 32.033 8.651 24.860 1.00 1.00 C ATOM 708 CG2 VAL A 49 32.699 6.947 23.160 1.00 1.00 C ATOM 0 H VAL A 49 34.139 8.817 22.600 1.00 1.00 H new ATOM 0 HA VAL A 49 34.644 8.567 25.495 1.00 1.00 H new ATOM 0 HB VAL A 49 32.933 6.743 25.294 1.00 1.00 H new ATOM 0 HG11 VAL A 49 31.017 8.256 24.859 1.00 1.00 H new ATOM 0 HG12 VAL A 49 32.260 9.065 25.842 1.00 1.00 H new ATOM 0 HG13 VAL A 49 32.118 9.435 24.107 1.00 1.00 H new ATOM 0 HG21 VAL A 49 31.683 6.552 23.158 1.00 1.00 H new ATOM 0 HG22 VAL A 49 32.785 7.731 22.408 1.00 1.00 H new ATOM 0 HG23 VAL A 49 33.400 6.145 22.930 1.00 1.00 H new ATOM 718 N LEU A 50 36.391 7.130 23.454 1.00 1.00 N ATOM 719 CA LEU A 50 37.397 6.107 23.187 1.00 1.00 C ATOM 720 C LEU A 50 38.782 6.736 23.068 1.00 1.00 C ATOM 721 O LEU A 50 39.761 6.054 22.764 1.00 1.00 O ATOM 722 CB LEU A 50 37.060 5.359 21.892 1.00 1.00 C ATOM 723 CG LEU A 50 36.440 6.323 20.876 1.00 1.00 C ATOM 724 CD1 LEU A 50 37.407 7.477 20.605 1.00 1.00 C ATOM 725 CD2 LEU A 50 36.167 5.575 19.569 1.00 1.00 C ATOM 0 H LEU A 50 36.491 7.980 22.899 1.00 1.00 H new ATOM 0 HA LEU A 50 37.399 5.403 24.019 1.00 1.00 H new ATOM 0 HB2 LEU A 50 37.962 4.910 21.476 1.00 1.00 H new ATOM 0 HB3 LEU A 50 36.367 4.545 22.103 1.00 1.00 H new ATOM 0 HG LEU A 50 35.506 6.719 21.276 1.00 1.00 H new ATOM 0 HD11 LEU A 50 36.963 8.161 19.882 1.00 1.00 H new ATOM 0 HD12 LEU A 50 37.606 8.010 21.534 1.00 1.00 H new ATOM 0 HD13 LEU A 50 38.341 7.083 20.205 1.00 1.00 H new ATOM 0 HD21 LEU A 50 35.726 6.259 18.844 1.00 1.00 H new ATOM 0 HD22 LEU A 50 37.103 5.181 19.173 1.00 1.00 H new ATOM 0 HD23 LEU A 50 35.478 4.752 19.758 1.00 1.00 H new ATOM 737 N TRP A 51 38.856 8.041 23.312 1.00 1.00 N ATOM 738 CA TRP A 51 40.125 8.753 23.231 1.00 1.00 C ATOM 739 C TRP A 51 40.738 8.914 24.618 1.00 1.00 C ATOM 740 O TRP A 51 41.768 8.314 24.925 1.00 1.00 O ATOM 741 CB TRP A 51 39.910 10.131 22.601 1.00 1.00 C ATOM 742 CG TRP A 51 40.811 11.126 23.259 1.00 1.00 C ATOM 743 CD1 TRP A 51 42.159 11.155 23.137 1.00 1.00 C ATOM 744 CD2 TRP A 51 40.457 12.234 24.137 1.00 1.00 C ATOM 745 NE1 TRP A 51 42.653 12.210 23.882 1.00 1.00 N ATOM 746 CE2 TRP A 51 41.643 12.905 24.518 1.00 1.00 C ATOM 747 CE3 TRP A 51 39.233 12.717 24.634 1.00 1.00 C ATOM 748 CZ2 TRP A 51 41.616 14.016 25.362 1.00 1.00 C ATOM 749 CZ3 TRP A 51 39.202 13.835 25.485 1.00 1.00 C ATOM 750 CH2 TRP A 51 40.392 14.483 25.848 1.00 1.00 C ATOM 0 H TRP A 51 38.058 8.623 23.566 1.00 1.00 H new ATOM 0 HA TRP A 51 40.808 8.173 22.611 1.00 1.00 H new ATOM 0 HB2 TRP A 51 40.116 10.090 21.531 1.00 1.00 H new ATOM 0 HB3 TRP A 51 38.870 10.436 22.714 1.00 1.00 H new ATOM 0 HD1 TRP A 51 42.752 10.466 22.553 1.00 1.00 H new ATOM 0 HE1 TRP A 51 43.643 12.446 23.953 1.00 1.00 H new ATOM 0 HE3 TRP A 51 38.311 12.226 24.360 1.00 1.00 H new ATOM 0 HZ2 TRP A 51 42.535 14.512 25.638 1.00 1.00 H new ATOM 0 HZ3 TRP A 51 38.257 14.197 25.862 1.00 1.00 H new ATOM 0 HH2 TRP A 51 40.362 15.342 26.502 1.00 1.00 H new ATOM 761 N THR A 52 40.098 9.727 25.452 1.00 1.00 N ATOM 762 CA THR A 52 40.589 9.957 26.805 1.00 1.00 C ATOM 763 C THR A 52 40.931 8.634 27.481 1.00 1.00 C ATOM 764 O THR A 52 41.989 8.494 28.096 1.00 1.00 O ATOM 765 CB THR A 52 39.530 10.693 27.628 1.00 1.00 C ATOM 766 OG1 THR A 52 39.652 10.323 28.995 1.00 1.00 O ATOM 767 CG2 THR A 52 38.136 10.324 27.119 1.00 1.00 C ATOM 0 H THR A 52 39.245 10.234 25.217 1.00 1.00 H new ATOM 0 HA THR A 52 41.490 10.567 26.745 1.00 1.00 H new ATOM 0 HB THR A 52 39.676 11.769 27.529 1.00 1.00 H new ATOM 0 HG1 THR A 52 38.975 10.795 29.523 1.00 1.00 H new ATOM 0 HG21 THR A 52 37.383 10.849 27.707 1.00 1.00 H new ATOM 0 HG22 THR A 52 38.044 10.611 26.071 1.00 1.00 H new ATOM 0 HG23 THR A 52 37.986 9.249 27.216 1.00 1.00 H new ATOM 775 N VAL A 53 40.028 7.666 27.363 1.00 1.00 N ATOM 776 CA VAL A 53 40.243 6.356 27.967 1.00 1.00 C ATOM 777 C VAL A 53 41.675 5.886 27.733 1.00 1.00 C ATOM 778 O VAL A 53 42.216 5.102 28.513 1.00 1.00 O ATOM 779 CB VAL A 53 39.267 5.341 27.369 1.00 1.00 C ATOM 780 CG1 VAL A 53 39.680 3.928 27.786 1.00 1.00 C ATOM 781 CG2 VAL A 53 37.855 5.630 27.883 1.00 1.00 C ATOM 0 H VAL A 53 39.147 7.762 26.859 1.00 1.00 H new ATOM 0 HA VAL A 53 40.071 6.438 29.040 1.00 1.00 H new ATOM 0 HB VAL A 53 39.283 5.418 26.282 1.00 1.00 H new ATOM 0 HG11 VAL A 53 38.984 3.205 27.360 1.00 1.00 H new ATOM 0 HG12 VAL A 53 40.687 3.721 27.423 1.00 1.00 H new ATOM 0 HG13 VAL A 53 39.664 3.850 28.873 1.00 1.00 H new ATOM 0 HG21 VAL A 53 37.158 4.908 27.458 1.00 1.00 H new ATOM 0 HG22 VAL A 53 37.840 5.552 28.970 1.00 1.00 H new ATOM 0 HG23 VAL A 53 37.559 6.637 27.588 1.00 1.00 H new ATOM 791 N PHE A 54 42.283 6.370 26.656 1.00 1.00 N ATOM 792 CA PHE A 54 43.654 5.993 26.329 1.00 1.00 C ATOM 793 C PHE A 54 44.645 6.834 27.126 1.00 1.00 C ATOM 794 O PHE A 54 45.677 6.335 27.576 1.00 1.00 O ATOM 795 CB PHE A 54 43.906 6.184 24.833 1.00 1.00 C ATOM 796 CG PHE A 54 44.928 5.176 24.361 1.00 1.00 C ATOM 797 CD1 PHE A 54 44.540 3.858 24.097 1.00 1.00 C ATOM 798 CD2 PHE A 54 46.262 5.562 24.190 1.00 1.00 C ATOM 799 CE1 PHE A 54 45.486 2.923 23.660 1.00 1.00 C ATOM 800 CE2 PHE A 54 47.209 4.627 23.754 1.00 1.00 C ATOM 801 CZ PHE A 54 46.822 3.308 23.488 1.00 1.00 C ATOM 0 H PHE A 54 41.852 7.020 25.998 1.00 1.00 H new ATOM 0 HA PHE A 54 43.794 4.944 26.589 1.00 1.00 H new ATOM 0 HB2 PHE A 54 42.976 6.062 24.278 1.00 1.00 H new ATOM 0 HB3 PHE A 54 44.262 7.196 24.640 1.00 1.00 H new ATOM 0 HD1 PHE A 54 43.510 3.562 24.230 1.00 1.00 H new ATOM 0 HD2 PHE A 54 46.561 6.580 24.394 1.00 1.00 H new ATOM 0 HE1 PHE A 54 45.186 1.906 23.456 1.00 1.00 H new ATOM 0 HE2 PHE A 54 48.239 4.924 23.623 1.00 1.00 H new ATOM 0 HZ PHE A 54 47.553 2.588 23.151 1.00 1.00 H new ATOM 811 N ARG A 55 44.326 8.114 27.296 1.00 1.00 N ATOM 812 CA ARG A 55 45.197 9.015 28.040 1.00 1.00 C ATOM 813 C ARG A 55 45.156 8.694 29.530 1.00 1.00 C ATOM 814 O ARG A 55 46.163 8.806 30.228 1.00 1.00 O ATOM 815 CB ARG A 55 44.761 10.464 27.817 1.00 1.00 C ATOM 816 CG ARG A 55 45.336 10.973 26.493 1.00 1.00 C ATOM 817 CD ARG A 55 44.872 10.067 25.352 1.00 1.00 C ATOM 818 NE ARG A 55 45.038 10.743 24.071 1.00 1.00 N ATOM 819 CZ ARG A 55 46.222 10.800 23.473 1.00 1.00 C ATOM 820 NH1 ARG A 55 47.263 10.246 24.032 1.00 1.00 N ATOM 821 NH2 ARG A 55 46.345 11.411 22.326 1.00 1.00 N ATOM 0 H ARG A 55 43.477 8.547 26.931 1.00 1.00 H new ATOM 0 HA ARG A 55 46.217 8.882 27.680 1.00 1.00 H new ATOM 0 HB2 ARG A 55 43.673 10.529 27.802 1.00 1.00 H new ATOM 0 HB3 ARG A 55 45.107 11.090 28.640 1.00 1.00 H new ATOM 0 HG2 ARG A 55 45.010 11.998 26.313 1.00 1.00 H new ATOM 0 HG3 ARG A 55 46.425 10.988 26.539 1.00 1.00 H new ATOM 0 HD2 ARG A 55 45.445 9.140 25.359 1.00 1.00 H new ATOM 0 HD3 ARG A 55 43.826 9.796 25.496 1.00 1.00 H new ATOM 0 HE ARG A 55 44.231 11.180 23.626 1.00 1.00 H new ATOM 0 HH11 ARG A 55 47.167 9.769 24.929 1.00 1.00 H new ATOM 0 HH12 ARG A 55 48.173 10.290 23.572 1.00 1.00 H new ATOM 0 HH21 ARG A 55 45.532 11.845 21.889 1.00 1.00 H new ATOM 0 HH22 ARG A 55 47.255 11.455 21.866 1.00 1.00 H new ATOM 835 N LYS A 56 43.983 8.293 30.011 1.00 1.00 N ATOM 836 CA LYS A 56 43.822 7.957 31.422 1.00 1.00 C ATOM 837 C LYS A 56 44.744 6.804 31.806 1.00 1.00 C ATOM 838 O LYS A 56 45.334 6.804 32.887 1.00 1.00 O ATOM 839 CB LYS A 56 42.370 7.567 31.702 1.00 1.00 C ATOM 840 CG LYS A 56 41.455 8.761 31.417 1.00 1.00 C ATOM 841 CD LYS A 56 41.223 9.546 32.709 1.00 1.00 C ATOM 842 CE LYS A 56 40.559 10.885 32.380 1.00 1.00 C ATOM 843 NZ LYS A 56 41.550 11.782 31.722 1.00 1.00 N ATOM 0 H LYS A 56 43.137 8.193 29.450 1.00 1.00 H new ATOM 0 HA LYS A 56 44.085 8.831 32.018 1.00 1.00 H new ATOM 0 HB2 LYS A 56 42.084 6.719 31.079 1.00 1.00 H new ATOM 0 HB3 LYS A 56 42.261 7.251 32.740 1.00 1.00 H new ATOM 0 HG2 LYS A 56 41.906 9.406 30.663 1.00 1.00 H new ATOM 0 HG3 LYS A 56 40.503 8.415 31.013 1.00 1.00 H new ATOM 0 HD2 LYS A 56 40.592 8.972 33.388 1.00 1.00 H new ATOM 0 HD3 LYS A 56 42.171 9.714 33.220 1.00 1.00 H new ATOM 0 HE2 LYS A 56 39.703 10.727 31.724 1.00 1.00 H new ATOM 0 HE3 LYS A 56 40.181 11.349 33.291 1.00 1.00 H new ATOM 0 HZ1 LYS A 56 41.258 12.772 31.846 1.00 1.00 H new ATOM 0 HZ2 LYS A 56 42.486 11.640 32.153 1.00 1.00 H new ATOM 0 HZ3 LYS A 56 41.599 11.560 30.707 1.00 1.00 H new